smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCC(Oc4nccs4)CC3)CC2)cc1C	ZINC000217593854	569449670	/nfs/dbraw/zinc/44/96/70/569449670.db2.gz	LBRHMYMDTUJVKO-UHFFFAOYSA-N	1	0	435.615	3.456	50	70		IGIARO
CCc1ccc(S(=O)(=O)N2CCC([NH+]3CCC(Oc4nccs4)CC3)CC2)s1	ZINC000217594036	569449679	/nfs/dbraw/zinc/44/96/79/569449679.db2.gz	RLFZDXKSTIHVFM-UHFFFAOYSA-N	1	0	441.644	3.464	50	70		IGIARO
COc1ccc(-c2noc(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)cc1OC	ZINC000217902690	569454778	/nfs/dbraw/zinc/45/47/78/569454778.db2.gz	WONADYUPQGLGDE-ZWKOTPCHSA-N	1	0	428.533	3.067	50	70		IGIARO
O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCN(c2ccc(Cl)nn2)CC1	ZINC000218217441	557182728	/nfs/dbraw/zinc/18/27/28/557182728.db2.gz	RAUNLTZSERTKOM-UHFFFAOYSA-N	1	0	431.943	3.266	50	70		IGIARO
COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@H]23)C1O	ZINC000217601519	568883187	/nfs/dbraw/zinc/88/31/87/568883187.db2.gz	HTVROKSUZNDXQZ-TTYHFUOFSA-N	1	0	442.874	3.323	50	70		IGIARO
O=C1Nc2ccc(Cl)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217699807	557173228	/nfs/dbraw/zinc/17/32/28/557173228.db2.gz	KMVDGLCFSARJAA-KCXPTXFHSA-N	1	0	442.302	3.425	50	70		IGIARO
O=C(c1cc(-c2ccco2)n[nH]1)N1CCC([NH+]2CCC(Oc3nccs3)CC2)CC1	ZINC000217593540	569449699	/nfs/dbraw/zinc/44/96/99/569449699.db2.gz	HKZWJHOQUQDAOW-UHFFFAOYSA-N	1	0	427.530	3.274	50	70		IGIARO
COc1ccc(-c2noc(CCCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)cc1OC	ZINC000217836895	569453975	/nfs/dbraw/zinc/45/39/75/569453975.db2.gz	GEMVQONVDFUQKH-RBUKOAKNSA-N	1	0	442.560	3.457	50	70		IGIARO
COC(=O)c1ccc(C(=O)N2CCC([NH+]3CCC(Oc4nccs4)CC3)CC2)cc1	ZINC000217592372	569449677	/nfs/dbraw/zinc/44/96/77/569449677.db2.gz	USIPSICQQQYUQA-UHFFFAOYSA-N	1	0	429.542	3.078	50	70		IGIARO
O=C(Cn1nc(Cl)ccc1=O)Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1	ZINC000217972372	569455472	/nfs/dbraw/zinc/45/54/72/569455472.db2.gz	WKKUCTQQHQCIHS-DOTOQJQBSA-N	1	0	447.992	3.287	50	70		IGIARO
O=C1Nc2ccc(Cl)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217699885	568883328	/nfs/dbraw/zinc/88/33/28/568883328.db2.gz	KMVDGLCFSARJAA-FBAVSBLXSA-N	1	0	442.302	3.425	50	70		IGIARO
COc1cc2c(cc1OC)CN(Cc1oc(C[NH+]3CCCCCC3)cc(=O)c1O)CC2	ZINC000217633437	569450643	/nfs/dbraw/zinc/45/06/43/569450643.db2.gz	GLMMVASEOPLBIZ-UHFFFAOYSA-N	1	0	428.529	3.297	50	70		IGIARO
O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217699725	557173338	/nfs/dbraw/zinc/17/33/38/557173338.db2.gz	KMVDGLCFSARJAA-SUWCGCSTSA-N	1	0	442.302	3.425	50	70		IGIARO
Cc1nc2cc(NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)ccc2n1CCC[NH+](C)C	ZINC000218501929	557203592	/nfs/dbraw/zinc/20/35/92/557203592.db2.gz	CXNOABYZXLUJCY-MRXNPFEDSA-N	1	0	432.528	3.206	50	70		IGIARO
COc1ccccc1N1CCN(Cc2oc(C[NH+]3CCCCCC3)cc(=O)c2O)CC1	ZINC000218271037	568741264	/nfs/dbraw/zinc/74/12/64/568741264.db2.gz	NHKDSEBBPGKXKA-UHFFFAOYSA-N	1	0	427.545	3.052	50	70		IGIARO
Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCN(Cc2ccccc2Cl)CC1	ZINC000218504560	569458304	/nfs/dbraw/zinc/45/83/04/569458304.db2.gz	UGYBFQKVKUQVDV-UHFFFAOYSA-N	1	0	445.007	3.048	50	70		IGIARO